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UJI IN SILICO KANDUNGAN SENYAWA TANAMAN ANGGUR (Vitis vinifera L.) UNTUK KANDIDAT OBAT ANTI HIPERLIPIDEMIA

DOI: https://doi.org/10.20956/mff.v26i2.19859
Article History

Submited : January 31, 2022
Published : September 2, 2022

Keywords:
Hiperlipidemia merupakan salah satu kelainan metabolik yang ditunjukkan oleh kadar lemak darah yang tidak normal. Hiperlipidemia dapat menjadi penyebab dari Cardiovascular disease (CVD) atau penyakit kardiovaskular yang merupakan penyebab utama kematian secara global. Pada penelitian ini dilakukan pengembangan obat antihiperlipidemia secara in silico dari senyawa yang terkandung dalam tanaman anggur (Vitis vinifera L.) dengan reseptor HMG-COA reductase inhibitors dengan kode PDB 3CCZ. Pengujian dilakukan dengan serangkaian proses meliputi pencarian senyawa, analisis ADMETOKS, skrining farmakofor dan  molecular docking menggunakan AutoDockTools-1.5.6. Berdasarkan hasil uji in silico, diperoleh bahwa isorhamnetin yang terkandung dalam tanaman anggur berpotensi untuk dikembangkan menjadi salah satu kandidat obat antihiperlipidemia dengan nilai ikatan energi dan konstanta inhibisi yang rendah yaitu -7.36 dan 4.01 μM yang juga disertai kesamaan interaksi residu asam amino antara standar dan isorhamnetin yang terdapat pada Asn 658 dan Gly 808.

References

  1. WHO. Cardiovascular diseases (CVDs) [Internet]. 2021 [cited 2021 Dec 10]. Available from: https://www.who.int/news-room/fact-sheets/detail/cardiovascular-diseases-(cvds)
  2. Grundy SM, Stone NJ, Bailey AL, Beam C, Birtcher KK, Blumenthal RS, et al. 2018 AHA/ACC/AACVPR/AAPA/ABC/ACPM/ADA/AGS/ APhA/ASPC/NLA/PCNA Guideline on the Management of Blood Cholesterol: Executive Summary: A Report of the American College of Cardiology/American Heart Association Task Force on Clinical Practice Guidelines. Circulation [Internet]. 2019 Jun 18 [cited 2021 Dec 10];139(25):e1082. Available from: /pmc/articles/PMC7403606/
  3. Hill MF, Bordoni B. Hyperlipidemia. StatPearls [Internet]. 2021 Aug 11 [cited 2021 Dec 10]; Available from: https://www.ncbi.nlm.nih.gov/books/NBK559182/
  4. Safitri N, Alaina MF, Pitaloka DAE, Abdulah R. A Narrative Review of Statin-Induced Rhabdomyolysis: Molecular Mechanism, Risk Factors, and Management. Drug Healthc Patient Saf [Internet]. 2021 Nov 8 [cited 2021 Dec 10];13:211–9. Available from: https://www.dovepress.com/a-narrative-review-of-statin-induced-rhabdomyolysis-molecular-mechanis-peer-reviewed-fulltext-article-DHPS
  5. Mahdavi A, Bagherniya M, Fakheran O, Reiner Ž, Xu S, Sahebkar A. Medicinal plants and bioactive natural compounds as inhibitors of HMG-CoA reductase: A literature review. Biofactors [Internet]. 2020 Nov 1 [cited 2021 Dec 10];46(6):906–26. Available from: https://pubmed.ncbi.nlm.nih.gov/33053603/
  6. Burin VM, Ferreira-Lima NE, Panceri CP, Bordignon-Luiz MT. Bioactive compounds and antioxidant activity of Vitis vinifera and Vitis labrusca grapes: Evaluation of different extraction methods. Microchem J. 2014 May 1;114:155–63.
  7. Silva LR, Queiroz M. Bioactive compounds of red grapes from Dão region (Portugal): Evaluation of phenolic and organic profile. Asian Pac J Trop Biomed. 2016 Apr 1;6(4):315–21.
  8. Saputra, F. E.M. Sutrisna, Nurhayani. Uji Efek Ekstrak Etanol 96% Anggur Merah (Vitis Vinifera) Terhadap Penurunan Kadar Trigliserida Pada Tikus Putih (Rattus Novergicus) Yang Diinduksi Triton X-100. Biomedika. 2017. 8(2) : 31-38.
  9. Hafidz KA, Puspitasari N, Azminah, Yanuar A, Artha Y, Mun’Im A. HMG-CoA reductase inhibitory activity of Gnetum Gnemon seed extract and identification of potential inhibitors for lowering cholesterol level. J Young Pharm. 2017 Oct 1;9(4):559–65.
  10. Brito MA de. Pharmacokinetic study with computational tools in the medicinal chemistry course. Brazilian J Pharm Sci. 2011 Oct;47(4):797–805.
  11. Lipinski CA. Lead- and drug-like compounds: the rule-of-five revolution. Drug Discov Today Technol. 2004 Dec 1;1(4):337–41.
  12. Zhao YH, Le J, Abraham MH, Hersey A, Eddershaw PJ, Luscombe CN, et al. Evaluation of human intestinal absorption data and subsequent derivation of a quantitative structure-activity relationship (QSAR) with the Abraham descriptors. J Pharm Sci [Internet]. 2001 [cited 2021 Dec 10];90(6):749–84. Available from: https://pubmed.ncbi.nlm.nih.gov/11357178/
  13. Hartanti, I.R., A. A. Putri, N. N. Auliya AS, A. L. Triadenda, E. Laelasari, C. Suhandi1 dan M. Muchtaridi. Molecular Docking Senyawa Xanton, Benzofenon, Dan Triterpenoid Sebagai Antidiabetes Dari Ekstrak Tumbuhan Garcinia Cowa. Jurnal Kimia. 2022. 16(1) : 72-83.
  14. Nursamsiar N, Toding AT, Awaluddin A. STUDI IN SILICO SENYAWA TURUNAN ANALOG KALKON DAN PIRIMIDIN SEBAGAI ANTIINFLAMASI: PREDIKSI ABSORPSI, DISTRIBUSI, DAN TOKSISITAS. Pharm J Farm Indones (Pharmaceutical J Indones [Internet]. 2016 Jul 16 [cited 2021 Dec 10];13(1):92–100. Available from: http://jurnalnasional.ump.ac.id/index.php/PHARMACY/article/view/891/831
  15. HARDJONO S. Prediksi Sifat Farmakokinetik, Toksisitas dan Aktivitas Sitotoksik Turunan N-Benzoil-N’-(4-fluorofenil)tiourea sebagai Calon Obat Antikanker melalui Pemodelan Molekul. J ILMU KEFARMASIAN Indones [Internet]. 2017 Sep 4 [cited 2021 Dec 10];14(2):246–55. Available from: http://jifi.farmasi.univpancasila.ac.id/index.php/jifi/article/view/38
  16. Pires DEV, Blundell TL, Ascher DB. pkCSM: Predicting small-molecule pharmacokinetic and toxicity properties using graph-based signatures. J Med Chem [Internet]. 2015 May 14 [cited 2021 Dec 10];58(9):4066–72. Available from: https://pubs.acs.org/doi/full/10.1021/acs.jmedchem.5b00104
  17. Murphy C, Deplazes E, Cranfield CG, Garcia A. The Role of Structure and Biophysical Properties in the Pleiotropic Effects of Statins. Int J Mol Sci [Internet]. 2020 Nov 2 [cited 2021 Dec 10];21(22):1–29. Available from: /pmc/articles/PMC7699354/
  18. Lateef T, Naeem S, Qureshi SA. In-silico studies of HMG-Co A reductase inhibitors present in fruits of Withania coagulans Dunal (Solanaceae). Trop J Pharm Res. 2020;19(2):305–12.
  19. Puratchikody A, Sriram D, Umamaheswari A, Irfan N. 3-D structural interactions and quantitative structural toxicity studies of tyrosine derivatives intended for safe potent inflammation treatment. Chem Cent J [Internet]. 2016 [cited 2021 Dec 10];10(1). Available from: https://pubmed.ncbi.nlm.nih.gov/27141229/
  20. Abinaya RV, Viswanathan P. Biotechnology-based therapeutics. In: Translational Biotechnology. Academic Press; 2021. p. 27–52.
  21. Hypercube. HyperChem Release 7: Tools for Molecular Modeling. Ontario: Hypercube Incorporation; 2002.
  22. Manna A, Laksitorini MD, Hudiyanti D, Siahaan P. Molecular Docking of Interaction between E-Cadherin Protein and Conformational Structure of Cyclic Peptide ADTC3 (Ac-CADTPC-NH2) Simulated on 20 ns. J Kim Sains dan Apl [Internet]. 2017 Apr 1 [cited 2021 Dec 10];20(1):30–6. Available from: https://ejournal.undip.ac.id/index.php/ksa/article/view/15277
  23. Vargas JAR, Lopez AG, Piñol MC, Froeyen M. Molecular docking study on the interaction between 2-substituted-4,5-difuryl Imidazoles with different protein target for antileishmanial activity. J Appl Pharm Sci. 2018 Mar 1;8(3):14–22.
  24. Suganya S, Nandagopal B, Anbarasu A. Natural Inhibitors of HMG-CoA Reductase-An Insilico Approach Through Molecular Docking and Simulation Studies. J Cell Biochem [Internet]. 2017 Jan 1 [cited 2021 Dec 10];118(1):52–7. Available from: https://pubmed.ncbi.nlm.nih.gov/27216569/
  25. Lin SH, Huang KJ, Weng CF, Shiuan D. Exploration of natural product ingredients as inhibitors of human HMG-CoA reductase through structure-based virtual screening. Drug Des Devel Ther [Internet]. 2015 Jun 26 [cited 2021 Dec 10];9:3313–24. Available from: https://www.dovepress.com/exploration-of-natural-product-ingredients-as-inhibitors-of-human-hmg--peer-reviewed-fulltext-article-DDDT
Rahmawaty, A., Cahyani, F. R., Safitri, N., Sitepu, A. A. N. C., Hapitria, E. N., & Megantara, S. (2022). UJI IN SILICO KANDUNGAN SENYAWA TANAMAN ANGGUR (Vitis vinifera L.) UNTUK KANDIDAT OBAT ANTI HIPERLIPIDEMIA. Majalah Farmasi Dan Farmakologi, 26(2), 57-62. https://doi.org/10.20956/mff.v26i2.19859

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